CID 42140

1,2,3,6,7,8-hexachlorodibenzofuran

Structural Information

Molecular Formula
C12H2Cl6O
SMILES
C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H
InChIKey
JEYJJJXOFWNEHN-UHFFFAOYSA-N
Compound name
1,2,3,6,7,8-hexachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

210
Patents

371.82367 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.830946 180.0
[M+Na]+ 394.812888 192.7
[M-H]- 370.816394 178.8
[M+NH4]+ 389.857493 194.3
[M+K]+ 410.786828 188.2
[M+H-H2O]+ 354.820930 177.3
[M+HCOO]- 416.821871 171.9
[M+CH3COO]- 430.837521 187.8
[M+Na-2H]- 392.798336 177.9
[M]+ 371.82312142 182.4
[M]- 371.82421858 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe